[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate

C26H23N3O5 — CID 55553162

IUPAC[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1occc1COc1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C26H23N3O5/c30-24(27-23-15-22(18-11-12-18)28-29(23)20-7-3-1-4-8-20)17-34-26(31)25-19(13-14-32-25)16-33-21-9-5-2-6-10-21/h1-10,13-15,18H,11-12,16-17H2,(H,27,30)
InChIKeyXYHHKRMLPDPGID-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.72
Rot. Bonds9

About [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 55553162) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

Compound Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
PubChem CID55553162
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate
SMILESO=C(COC(=O)c1occc1COc1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1
InChIInChI=1S/C26H23N3O5/c30-24(27-23-15-22(18-11-12-18)28-29(23)20-7-3-1-4-8-20)17-34-26(31)25-19(13-14-32-25)16-33-21-9-5-2-6-10-21/h1-10,13-15,18H,11-12,16-17H2,(H,27,30)
InChIKeyXYHHKRMLPDPGID-UHFFFAOYSA-N
XLogP4.72
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 55552560
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 55552677
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-benzamido-2-phenylacetate
CID 55553271
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
CID 66876742
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55554040
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55552579
2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 55553497
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110906782
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55553482

Frequently Asked Questions

What is the IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The IUPAC name of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate (CID 55553162) is [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate.
What is the SMILES notation for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The canonical SMILES for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate is O=C(COC(=O)c1occc1COc1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1.
What is the InChIKey of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
The InChIKey is XYHHKRMLPDPGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-24(27-23-15-22(18-11-12-18)28-29(23)20-7-3-1-4-8-20)17-34-26(31)25-19(13-14-32-25)16-33-21-9-5-2-6-10-21/h1-10,13-15,18H,11-12,16-17H2,(H,27,30).
What are the key properties of [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate?
[2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 457.49 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-cyclopropyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 55553162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).